- InChI
- InChI=1S/C23H38ClNO/c1-3-5-7-9-11-13-19-25(20-14-12-10-8-6-4-2)23(26)21-15-17-22(24)18-16-21/h15-18H,3-14,19-20H2,1-2H3
- InChI Key
- MLJYWQWBEVWXDK-UHFFFAOYSA-N
- Formula
- C23H38ClNO
- SMILES
-
CCCCCCCCN(CCCCCCCC)C(=O)c1ccc(
Cl)cc1 - Molecular Weight1
- 380.01
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 57.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.503 | Crippen Calculated Property | |
| McVol | 334.960 | ml/mol | McGowan Calculated Property |
| Inp | [2670.00; 2670.00] |
|
|
| Inp | 2670.00 | NIST | |
| Inp | 2670.00 | NIST | |
| Tboil | 668.90 | K | Relay (1.0) Calculated Property |
| Tfus | 305.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.53; 1119.67] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.80660e+01 | |||
| Coefficient B | 2.15314e+00 | |||
| Coefficient C | -1.30586e-03 | |||
| Coefficient D | 3.00460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 468.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 583.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 685.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 775.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 855.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 924.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 984.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1036.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1081.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1119.67 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-dioctyl-4-chloro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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